N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide

C18H18Cl3NO — CID 100608161

IUPACN-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl
InChIInChI=1S/C18H18Cl3NO/c19-15-9-7-14(17(21)12-15)8-10-18(23)22-11-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12H,3,5,8,10-11H2,(H,22,23)
InChIKeyXOFXLMKNTSANCO-UHFFFAOYSA-N
MW370.71 g/mol
LogP5.33
Rot. Bonds7

About N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide

N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide (PubChem CID 100608161) has the molecular formula C18H18Cl3NO and a molecular weight of 370.71 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
PubChem CID100608161
Molecular FormulaC18H18Cl3NO
Molecular Weight370.71 g/mol
Exact Mass369.05
IUPAC NameN-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl
InChIInChI=1S/C18H18Cl3NO/c19-15-9-7-14(17(21)12-15)8-10-18(23)22-11-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12H,3,5,8,10-11H2,(H,22,23)
InChIKeyXOFXLMKNTSANCO-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
CID 100605659
3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934902
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999188

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide (CID 100608161) is N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is XOFXLMKNTSANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO/c19-15-9-7-14(17(21)12-15)8-10-18(23)22-11-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12H,3,5,8,10-11H2,(H,22,23).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide?
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 370.71 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 100608161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).